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88370-43-8

88370-43-8 | 2-Thiaspiro[4.5]decane-7,9-dione, 8-[1-(ethoxyimino)butyl]-3-phenyl-

CAS No: 88370-43-8 Catalog No: AG004G0V MDL No:

Product Description

Catalog Number:
AG004G0V
Chemical Name:
2-Thiaspiro[4.5]decane-7,9-dione, 8-[1-(ethoxyimino)butyl]-3-phenyl-
CAS Number:
88370-43-8
Molecular Formula:
C21H27NO3S
Molecular Weight:
373.5090
IUPAC Name:
8-(N-ethoxy-C-propylcarbonimidoyl)-3-phenyl-2-thiaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C21H27NO3S/c1-3-8-16(22-25-4-2)20-17(23)11-21(12-18(20)24)13-19(26-14-21)15-9-6-5-7-10-15/h5-7,9-10,19-20H,3-4,8,11-14H2,1-2H3
InChI Key:
WDHCDZMPZWQCLM-UHFFFAOYSA-N
SMILES:
CCCC(=NOCC)C1C(=O)CC2(CC1=O)CSC(C2)c1ccccc1

Properties

Complexity:
536  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.171g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.511g/mol
Monoisotopic Mass:
373.171g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.8  

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